CID 83827090

4-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridine

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
CC1=NOC2=C1C(=NC=C2)Cl
InChI
InChI=1S/C7H5ClN2O/c1-4-6-5(11-10-4)2-3-9-7(6)8/h2-3H,1H3
InChIKey
GJECRSYWFUAZMS-UHFFFAOYSA-N
Compound name
4-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.00903 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.016306 128.0
[M+Na]+ 190.998248 141.5
[M-H]- 167.001754 131.5
[M+NH4]+ 186.042853 148.9
[M+K]+ 206.972188 138.6
[M+H-H2O]+ 151.006290 122.1
[M+HCOO]- 213.007231 147.2
[M+CH3COO]- 227.022881 143.5
[M+Na-2H]- 188.983696 137.5
[M]+ 168.00848142 133.8
[M]- 168.00957858 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.